SCHEMBL9600966

SCHEMBL9600966

COc1cccc(-c2cc(Cl)cc(Cl)c2CN)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.55
DPP8 Q6V1X1 2/20 0.51
DPP9 Q86TI2 2/20 0.51
MGAT2 Q10469 1/20 0.45
MAOB P27338 3/20 0.44
TDO2 P48775 1/20 0.43
CNR1 P21554 1/20 0.41
GCGR P47871 1/20 0.40
MAPK14 Q16539 1/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
PLAU P00749 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9602419 0.84 DPP4 (0.52) DPP4DPP8DPP9MAOB
SCHEMBL9600455 0.81 DPP4 (0.52) DPP4DPP8DPP9CNR1
SCHEMBL9602126 0.78 PNMT (0.39) DPP4DPP8DPP9
SCHEMBL9601457 0.78 CSNK2A1 (0.51) DPP4
SCHEMBL9601814 0.78 DPP4 (0.52) DPP4DPP8DPP9
SCHEMBL7566898 0.73 MTNR1A (0.42) DPP4MGAT2MAOBPRKAB2PRKAG1
SCHEMBL9600526 0.73 DPP4 (0.47) DPP4DPP8DPP9
SCHEMBL9602733 0.72 DPP4 (0.36) DPP4DPP8DPP9
SCHEMBL9601003 0.72 DPP4 (0.49) DPP4DPP8DPP9
SCHEMBL7579760 0.72 CASR (0.58) MAOBTDO2PRKAB2PRKAG1PRKAA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0318181-B1 N-(Biphenylmethyl)-3-hydroxyglutaramic acids and derivatives as hypocholesterolemic agents PFIZER (US) 1993-06-16 EP disclosed
US-5169976-A N-(biphenylmethyl)-3-hydroxyglutaramic acid and derivatives as hypocholesterolemic agents PFIZER INC. (US) 1992-12-08 US disclosed
WO-1989004821-A1 N-(BIPHENYLMETHYL)-3-HYDROXYGLUTARAMIC ACID AND DERIVATIVES AS HYPOCHOLESTEROLEMIC AGENTS PFIZER INC. (US) 1989-06-01 WO disclosed
EP-0318181-A2 N-(Biphenylmethyl)-3-hydroxyglutaramic acids and derivatives as hypocholesterolemic agents PFIZER INC. (US) 1989-05-31 EP disclosed